4-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-7-hydroxychromen-2-one

C20H19NO3S — CID 9002494

IUPAC4-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-7-hydroxychromen-2-one
SMILESO=c1cc(CN2CCc3sccc3[C@H]2C2CC2)c2ccc(O)cc2o1
InChIInChI=1S/C20H19NO3S/c22-14-3-4-15-13(9-19(23)24-17(15)10-14)11-21-7-5-18-16(6-8-25-18)20(21)12-1-2-12/h3-4,6,8-10,12,20,22H,1-2,5,7,11H2/t20-/m1/s1
InChIKeySJKLXBHQHIMRSH-HXUWFJFHSA-N
MW353.44 g/mol
LogP4.07
Rot. Bonds3

About 4-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-7-hydroxychromen-2-one

4-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-7-hydroxychromen-2-one (PubChem CID 9002494) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is 4-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-7-hydroxychromen-2-one.

Molecular Properties

Compound Name4-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-7-hydroxychromen-2-one
PubChem CID9002494
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC Name4-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-7-hydroxychromen-2-one
SMILESO=c1cc(CN2CCc3sccc3[C@H]2C2CC2)c2ccc(O)cc2o1
InChIInChI=1S/C20H19NO3S/c22-14-3-4-15-13(9-19(23)24-17(15)10-14)11-21-7-5-18-16(6-8-25-18)20(21)12-1-2-12/h3-4,6,8-10,12,20,22H,1-2,5,7,11H2/t20-/m1/s1
InChIKeySJKLXBHQHIMRSH-HXUWFJFHSA-N
XLogP4.07
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

4-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-6,7-dimethylchromen-2-one
CID 8999601
4-[[(3R)-3-aminopiperidin-1-yl]methyl]-7-hydroxychromen-2-one
CID 102985143
7,8-dimethyl-4-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]chromen-2-one
CID 9000341
2-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3H-quinazolin-4-one
CID 135751566
2-[[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3H-quinazolin-4-one
CID 135751568
2-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135751570
7-chloro-2-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3H-quinazolin-4-one
CID 135626204
4-(bromomethyl)-7-hydroxychromen-2-one
CID 5465897
4-[(4,4-difluoro-3,5-dimethylpiperidin-1-yl)methyl]-7-hydroxychromen-2-one
CID 139020957
2-[2-[(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-4-oxoquinazolin-3-yl]acetamide
CID 17414375
2-[2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]isoindole-1,3-dione
CID 9001867
(4S)-4-cyclopropyl-5-(2-methoxyethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 95811319

Frequently Asked Questions

What is the IUPAC name of 4-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-7-hydroxychromen-2-one?
The IUPAC name of 4-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-7-hydroxychromen-2-one (CID 9002494) is 4-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-7-hydroxychromen-2-one.
What is the SMILES notation for 4-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-7-hydroxychromen-2-one?
The canonical SMILES for 4-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-7-hydroxychromen-2-one is O=c1cc(CN2CCc3sccc3[C@H]2C2CC2)c2ccc(O)cc2o1.
What is the InChIKey of 4-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-7-hydroxychromen-2-one?
The InChIKey is SJKLXBHQHIMRSH-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H19NO3S/c22-14-3-4-15-13(9-19(23)24-17(15)10-14)11-21-7-5-18-16(6-8-25-18)20(21)12-1-2-12/h3-4,6,8-10,12,20,22H,1-2,5,7,11H2/t20-/m1/s1.
What are the key properties of 4-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-7-hydroxychromen-2-one?
4-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-7-hydroxychromen-2-one has a molecular weight of 353.44 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-7-hydroxychromen-2-one is sourced from PubChem (CID 9002494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).